[1-[1-(5-ethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

C21H32N4O3 — CID 56865467

IUPAC[1-[1-(5-ethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCCc1oncc1C(=O)N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C21H32N4O3/c1-2-19-18(14-22-28-19)21(27)24-12-7-17(8-13-24)25-11-5-6-16(15-25)20(26)23-9-3-4-10-23/h14,16-17H,2-13,15H2,1H3
InChIKeyOQMDYGCNQOVZIE-UHFFFAOYSA-N
MW388.51 g/mol
LogP2.18
Rot. Bonds4

About [1-[1-(5-ethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

[1-[1-(5-ethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 56865467) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is [1-[1-(5-ethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[1-(5-ethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID56865467
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name[1-[1-(5-ethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCCc1oncc1C(=O)N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C21H32N4O3/c1-2-19-18(14-22-28-19)21(27)24-12-7-17(8-13-24)25-11-5-6-16(15-25)20(26)23-9-3-4-10-23/h14,16-17H,2-13,15H2,1H3
InChIKeyOQMDYGCNQOVZIE-UHFFFAOYSA-N
XLogP2.18
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(5-ethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[1-(5-ethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 56865467) is [1-[1-(5-ethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[1-(5-ethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[1-(5-ethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is CCc1oncc1C(=O)N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1.
What is the InChIKey of [1-[1-(5-ethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is OQMDYGCNQOVZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-2-19-18(14-22-28-19)21(27)24-12-7-17(8-13-24)25-11-5-6-16(15-25)20(26)23-9-3-4-10-23/h14,16-17H,2-13,15H2,1H3.
What are the key properties of [1-[1-(5-ethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[1-[1-(5-ethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 388.51 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(5-ethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56865467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).